N'-(4,7-dichloro-1,3-benzothiazol-2-yl)-4-methylsulfonylbenzohydrazide

C15H11Cl2N3O3S2 — CID 43953395

IUPACN'-(4,7-dichloro-1,3-benzothiazol-2-yl)-4-methylsulfonylbenzohydrazide
SMILESCS(=O)(=O)c1ccc(C(=O)NNc2nc3c(Cl)ccc(Cl)c3s2)cc1
InChIInChI=1S/C15H11Cl2N3O3S2/c1-25(22,23)9-4-2-8(3-5-9)14(21)19-20-15-18-12-10(16)6-7-11(17)13(12)24-15/h2-7H,1H3,(H,18,20)(H,19,21)
InChIKeyCMECRIABITXIHB-UHFFFAOYSA-N
MW416.31 g/mol
LogP3.76
Rot. Bonds4

About N'-(4,7-dichloro-1,3-benzothiazol-2-yl)-4-methylsulfonylbenzohydrazide

N'-(4,7-dichloro-1,3-benzothiazol-2-yl)-4-methylsulfonylbenzohydrazide (PubChem CID 43953395) has the molecular formula C15H11Cl2N3O3S2 and a molecular weight of 416.31 g/mol. Its IUPAC name is N'-(4,7-dichloro-1,3-benzothiazol-2-yl)-4-methylsulfonylbenzohydrazide.

Molecular Properties

Compound NameN'-(4,7-dichloro-1,3-benzothiazol-2-yl)-4-methylsulfonylbenzohydrazide
PubChem CID43953395
Molecular FormulaC15H11Cl2N3O3S2
Molecular Weight416.31 g/mol
Exact Mass414.96
IUPAC NameN'-(4,7-dichloro-1,3-benzothiazol-2-yl)-4-methylsulfonylbenzohydrazide
SMILESCS(=O)(=O)c1ccc(C(=O)NNc2nc3c(Cl)ccc(Cl)c3s2)cc1
InChIInChI=1S/C15H11Cl2N3O3S2/c1-25(22,23)9-4-2-8(3-5-9)14(21)19-20-15-18-12-10(16)6-7-11(17)13(12)24-15/h2-7H,1H3,(H,18,20)(H,19,21)
InChIKeyCMECRIABITXIHB-UHFFFAOYSA-N
XLogP3.76
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.31
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4,7-dichloro-1,3-benzothiazol-2-yl)-4-ethylsulfonylbenzamide
CID 16822993
N'-(4-fluoro-1,3-benzothiazol-2-yl)-4-methylsulfonylbenzohydrazide
CID 7599822
N'-(5,7-dimethyl-1,3-benzothiazol-2-yl)-4-methylsulfonylbenzohydrazide
CID 7600129
N-(4,7-dichloro-1,3-benzothiazol-2-yl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 44993217
N-(4,7-dichloro-1,3-benzothiazol-2-yl)-4-(diethylsulfamoyl)benzamide
CID 4671583
N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-methylsulfonylbenzamide
CID 7267223
N-(4-chloro-1,3-benzothiazol-2-yl)-4-methylsulfonylbenzamide
CID 7565735
N'-(4,7-dichloro-1,3-benzothiazol-2-yl)-2,5-dimethylbenzohydrazide
CID 7600050
4-[cyclopentyl(methyl)sulfamoyl]-N-(4,7-dichloro-1,3-benzothiazol-2-yl)benzamide
CID 43947389
N'-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-3-ethylsulfonylbenzohydrazide
CID 41074302
N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-propan-2-ylsulfonylbenzamide
CID 41148747
N'-(4-chloro-1,3-benzothiazol-2-yl)-4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzohydrazide
CID 41043726

Frequently Asked Questions

What is the IUPAC name of N'-(4,7-dichloro-1,3-benzothiazol-2-yl)-4-methylsulfonylbenzohydrazide?
The IUPAC name of N'-(4,7-dichloro-1,3-benzothiazol-2-yl)-4-methylsulfonylbenzohydrazide (CID 43953395) is N'-(4,7-dichloro-1,3-benzothiazol-2-yl)-4-methylsulfonylbenzohydrazide.
What is the SMILES notation for N'-(4,7-dichloro-1,3-benzothiazol-2-yl)-4-methylsulfonylbenzohydrazide?
The canonical SMILES for N'-(4,7-dichloro-1,3-benzothiazol-2-yl)-4-methylsulfonylbenzohydrazide is CS(=O)(=O)c1ccc(C(=O)NNc2nc3c(Cl)ccc(Cl)c3s2)cc1.
What is the InChIKey of N'-(4,7-dichloro-1,3-benzothiazol-2-yl)-4-methylsulfonylbenzohydrazide?
The InChIKey is CMECRIABITXIHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2N3O3S2/c1-25(22,23)9-4-2-8(3-5-9)14(21)19-20-15-18-12-10(16)6-7-11(17)13(12)24-15/h2-7H,1H3,(H,18,20)(H,19,21).
What are the key properties of N'-(4,7-dichloro-1,3-benzothiazol-2-yl)-4-methylsulfonylbenzohydrazide?
N'-(4,7-dichloro-1,3-benzothiazol-2-yl)-4-methylsulfonylbenzohydrazide has a molecular weight of 416.31 g/mol, XLogP of 3.76, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4,7-dichloro-1,3-benzothiazol-2-yl)-4-methylsulfonylbenzohydrazide is sourced from PubChem (CID 43953395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).